D. Wishart

D. Wishart, 2005, American journal of transplantation : official journal of the American Society of Transplantation and the American Society of Transplant Surgeons.

Informatics and Data Analytics to Support Exposome-Based Discovery for Public Health.

Molly A. Hall, D. Wishart, P. Bushel, 2017, Annual review of public health.

Computational Prediction of Electron Ionization Mass Spectra to Assist in GC/MS Compound Identification.

D. Wishart, Russ Greiner, Allison Pon, 2016, Analytical chemistry.

Use of chemical shifts in macromolecular structure determination.

D. Case, D. Wishart, D A Case, 2002, Methods in enzymology.

Metabolomics Profiling of Critically Ill Coronavirus Disease 2019 Patients: Identification of Diagnostic and Prognostic Biomarkers

D. Wishart, D. O'Gorman, R. Mandal, 2020, Critical care explorations.

Escherichia coli K-12: a cooperatively developed annotation snapshot—2005

Monica Riley, Martha B. Arnaud, Jeremy D. Glasner, 2006, Nucleic acids research.

Small Molecule Inhibitors of ERCC1-XPF Protein-Protein Interaction Synergize Alkylating Agents in Cancer Cells

Rolando Perez-Pineiro, David S Wishart, Jack Tuszynski, 2013, Molecular Pharmacology.

Assessing the performance of genome-wide association studies for predicting disease risk

D. Wishart, B. Han, Jonas Patron, 2019, PloS one.

Assessing the performance of genome-wide association studies for predicting disease risk

D. Wishart, B. Han, Jonas Patron, 2019, bioRxiv.

Bioinformatics for Metabolomics

D. Wishart, 2009 .

Computational Systems Biology in Cancer: Modeling Methods and Applications

David S. Wishart, Wayne Materi, D. Wishart, 2007, Gene regulation and systems biology.

Identification of candidate biomarkers of brain damage in a mouse model of closed head injury: a metabolomic pilot study

D. Wishart, T. Bjorndahl, B. Han, 2016, Metabolomics.

Targeted Metabolic Profiling of Post-Mortem Brain from Infants Who Died from Sudden Infant Death Syndrome.

D. Wishart, T. Bjorndahl, B. Han, 2017, Journal of proteome research.

Learning to predict cancer-associated skeletal muscle wasting from 1H-NMR profiles of urinary metabolites

David S. Wishart, Sambasivarao Damaraju, Russell Greiner, 2011, Metabolomics.

Recommendations and Standardization of Biomarker Quantification Using NMR-Based Metabolomics with Particular Focus on Urinary Analysis

David S. Wishart, Christoph Steinbeck, Daniel Raftery, 2016, Journal of proteome research.

Prediction of skeletal muscle and fat mass in patients with advanced cancer using a metabolomic approach.

Sambasivarao Damaraju, Russell Greiner, Roman Eisner, 2012, The Journal of nutrition.

Metabolome analysis of 20 taxonomically related benzylisoquinoline alkaloid-producing plants

D. Wishart, C. Borchers, B. Han, 2015, BMC Plant Biology.

Functionalized gold nanoparticle-enhanced competitive assay for sensitive small-molecule metabolite detection using surface plasmon resonance.

D. Wishart, M. McDermott, Yong Cao, 2017, The Analyst.

Characterization of biopharmaceuticals by NMR spectroscopy

David S. Wishart, D. Wishart, 2013 .

Accessible surface area from NMR chemical shifts

Noor E. Hafsa, D. Wishart, David Arndt, 2015, Journal of Biomolecular NMR.

Discovering drug targets through the web.

David S Wishart, D. Wishart, 2007, Comparative biochemistry and physiology. Part D, Genomics & proteomics.

PA-GOSUB : A Searchable Database of Model Organism Protein Sequences With Their Predicted GO Molecular Function and Subcellular Localization

Duane Szafron, David S. Wishart, Russell Greiner, 2004 .

Proteome Analyst - Transparent High-throughput Protein Annotation: Function, Localization and Custom Predictors

Zhiyong Lu, Duane Szafron, David S. Wishart, 2003 .

Tools for Protein Technologies

David S. Wishart, D. Wishart, 2001 .

ORB, a homology-based program for the prediction of protein NMR chemical shifts

David S. Wishart, Wolfram Gronwald, Robert F. Boyko, 1997 .

Interpreting protein chemical shift data.

David S Wishart, D. Wishart, 2011, Progress in nuclear magnetic resonance spectroscopy.

Computational strategies for metabolite identification in metabolomics.

David S Wishart, D. Wishart, 2009, Bioanalysis.

Metabolomics is a field of omics science

D. Wishart, 2022 .

Vl-linker-Vh orientation-dependent expression of single chain Fv-containing an engineered disulfide-stabilized bond in the framework regions.

D. Wishart, M. Krantz, Y. Zhang, 1995, Journal of biochemistry.

Introduction to Cheminformatics

David S Wishart, D. Wishart, 2016, Current protocols in bioinformatics.

Identifying putative drug targets and potential drug leads: starting points for virtual screening and docking.

David S Wishart, D. Wishart, 2008, Methods in molecular biology.

Human Metabolome Database: completing the 'human parts list'.

David S Wishart, D. Wishart, 2007, Pharmacogenomics.

The application of composite pulses to surface-coil NMR

D. Wishart, R. Shulman, H. Hetherington, 1986 .

Basic Science and Experimental Study Molecular Signatures of End-Stage Heart Failure

B. McManus, D. Wishart, R. Ng, 2011 .

In silico identification of genes in bacteriophage DNA.

M. Borodovsky, A. Lomsadze, D. Wishart, 2009, Methods in molecular biology.

Metabolomic identification of diagnostic serum-based biomarkers for advanced stage melanoma

D. Wishart, T. Bjorndahl, B. Han, 2018, Metabolomics.

Unraveling the meaning of chemical shifts in protein NMR.

D. Wishart, M. Berjanskii, 2017, Biochimica et biophysica acta. Proteins and proteomics.

Identification and characterization of ϕH111-1

D. Wishart, Yongjie Liang, L. Eberl, 2013, Bacteriophage.

The Metabolomic Profile of Umbilical Cord Blood in Neonatal Hypoxic Ischaemic Encephalopathy

D. Wishart, G. Boylan, D. Broadhurst, 2012, PloS one.

165 The Metabolomic Profile of Umbilical Cord Blood in Neonatal Hypoxic Ischaemic Encephalopathy

D. Wishart, G. Boylan, D. Broadhurst, 2012, Archives of Disease in Childhood.

Progeny of tobacco mosaic virus-infected Nicotiana tabacum plants exhibit trans-generational changes in metabolic profiles

D. Wishart, R. Mandal, I. Kovalchuk, 2012 .

Comparative analysis of essential collective dynamics and NMR-derived flexibility profiles in evolutionarily diverse prion proteins

D. Wishart, M. Stepanova, M. Berjanskii, 2011, Prion.

In silico studies and fluorescence binding assays of potential anti-prion compounds reveal an important binding site for prion inhibition from PrP(C) to PrP(Sc).

D. Wishart, J. Tuszynski, R. Perez-Pineiro, 2015, European journal of medicinal chemistry.

The effect of haemolysis on the metabolomic profile of umbilical cord blood.

G B Boylan, B D Sykes, D. Wishart, 2015, Clinical biochemistry.

A review on human fecal metabolomics: Methods, applications and the human fecal metabolome database.

D. Wishart, Anchi Guo, H. Huynh, 2018, Analytica chimica acta.

Transcript analysis in two alfalfa salt tolerance selected breeding populations relative to a non-tolerant population.

D. Wishart, H. Steppuhn, M. Yu, 2017, Genome.

Solid phase synthesis of acylglycine human metabolites.

D. Wishart, R. Perez-Pineiro, Ying Dong, 2009, Bioorganic & medicinal chemistry letters.

Serum metabolic fingerprinting of pre-lameness dairy cows by GC-MS reveals typical profiles that can identify susceptible cows.

D. Wishart, R. Mandal, B. Ametaj, 2019, Journal of proteomics.

BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification

David S. Wishart, Russell Greiner, Claudine Manach, 2019, Journal of Cheminformatics.

Validity and utility of urinary CXCL10/Cr immune monitoring in pediatric kidney transplant recipients

D. Wishart, P. Nickerson, D. Rush, 2020, American journal of transplantation : official journal of the American Society of Transplantation and the American Society of Transplant Surgeons.

Evolution of renal function and urinary biomarker indicators of inflammation on serial kidney biopsies in pediatric kidney transplant recipients with and without rejection

D. Wishart, P. Nickerson, D. Rush, 2018, Pediatric transplantation.

Metabolomics in monitoring kidney transplants

D. Wishart, 2006, Current opinion in nephrology and hypertension.

Rapid and reliable protein structure determination via chemical shift threading

Noor E. Hafsa, D. Wishart, David Arndt, 2018, Journal of biomolecular NMR.

PathBank: a comprehensive pathway database for model organisms

D. Wishart, Anchi Guo, Allison Pon, 2019, Nucleic Acids Res..

A simple method to adjust inconsistently referenced 13C and 15N chemical shift assignments of proteins

David S Wishart, D. Wishart, Yunjun Wang, 2005, Journal of biomolecular NMR.

Transplant Glomerulopathy, Late Antibody‐Mediated Rejection and the ABCD Tetrad in Kidney Allograft Biopsies for Cause

D. Wishart, T. Mueller, P. Halloran, 2006, American journal of transplantation : official journal of the American Society of Transplantation and the American Society of Transplant Surgeons.

Recombinant Incretin-Secreting Microbe Improves Metabolic Dysfunction in High-Fat Diet Fed Rodents

D. Wishart, R. Seeley, T. Dinan, 2017, Scientific Reports.

PepTool and GeneTool: platform-independent tools for biological sequence analysis.

D. Wishart, G. Van Domselaar, P. Stothard, 2000, Methods in molecular biology.

Comparison of the metabolomic profiles of irritable bowel syndrome patients with ulcerative colitis patients and healthy controls: new insights into pathophysiology and potential biomarkers

D. Wishart, G. Boeckxstaens, A. Keshteli, 2019, Alimentary pharmacology & therapeutics.

Metabolomic prediction of endometrial cancer

D. Wishart, T. Bjorndahl, B. Han, 2017, Metabolomics.

Hair Metabolomics: Identification of Fetal Compromise Provides Proof of Concept for Biomarker Discovery

P. Gluckman, D. Wishart, Y. Chong, 2014, Theranostics.

Peptide-based fluorescence biosensors for detection/measurement of nanoparticles

D. Wishart, G. Goss, O. Akinloye, 2017, Analytical and Bioanalytical Chemistry.

Metabolomic Fingerprint of Heart Failure with Preserved Ejection Fraction

David S. Wishart, Beomsoo Han, Rupasri Mandal, 2015, PloS one.

Metabolomic Fingerprint of Behavioral Changes in Response to Full-Spectrum Cannabis Extracts

K. Mathewson, K. Fouad, D. Wishart, 2022, Frontiers in Pharmacology.

Improved Glucose Homeostasis in Obese Mice Treated With Resveratrol Is Associated With Alterations in the Gut Microbiome

D. Wishart, C. Soltys, J. Dyck, 2016, Diabetes.

Metabotyping reveals distinct metabolic alterations in ketotic cows and identifies early predictive serum biomarkers for the risk of disease

David S. Wishart, Beomsoo Han, Rupasri Mandal, 2017, Metabolomics.

Blood Metabolomic Phenotyping of Dry Cows Could Predict the High Milk Somatic Cells in Early Lactation—Preliminary Results

D. Wishart, S. M. Dunn, B. Ametaj, 2022, Dairy.

Milk Metabotyping Identifies Metabolite Alterations in the Whole Raw Milk of Dairy Cows with Lameness.

D. Wishart, R. Mandal, B. Ametaj, 2020, Journal of agricultural and food chemistry.

Urinary metabolomics fingerprinting around parturition identifies metabolites that differentiate lame dairy cows from healthy ones.

E. F. Eckel, D. Wishart, R. Mandal, 2020, Animal : an international journal of animal bioscience.

Mass-spec-based urinary metabotyping around parturition identifies screening biomarkers for subclinical mastitis in dairy cows.

D. Wishart, R. Mandal, B. Ametaj, 2020, Research in veterinary science.

Metallotyping of ketotic dairy cows reveals major alterations preceding, associating, and following the disease occurrence

D. Wishart, R. Mandal, B. Ametaj, 2017, Metabolomics.

DI/LC-MS/MS-Based Metabolic Profiling for Identification of Early Predictive Serum Biomarkers of Metritis in Transition Dairy Cows.

D. Wishart, R. Mandal, B. Ametaj, 2017, Journal of agricultural and food chemistry.

Metabolomics Approach Reveals Altered Plasma Amino Acid and Sphingolipid Profiles Associated with Patholological State in Transition Dairy Cows

D. Wishart, F. Saleem, R. Mandal, 2015 .

The impact of methodological choices when developing predictive models using urinary metabolite data

D. Wishart, Gabriela V Cohen Freue, T. Blydt-Hansen, 2022, Statistics in medicine.

Metabolomic analysis for first-trimester trisomy 18 detection.

D. Wishart, K. Nicolaides, R. Bahado-Singh, 2013, American journal of obstetrics and gynecology.

Acylcarnitines: Nomenclature, Biomarkers, Therapeutic Potential, Drug Targets, and Clinical Trials

D. Wishart, S. Smesny, Anchi Guo, 2022, Pharmacological Reviews.

Accurate, Fully-Automated NMR Spectral Profiling for Metabolomics

David S. Wishart, Russell Greiner, Siamak Ravanbakhsh, 2014, PloS one.

A Cross-Platform Metabolomics Comparison Identifies Serum Metabolite Signatures of Liver Fibrosis Progression in Chronic Hepatitis C Patients

D. Wishart, P. Britz‐McKibbin, A. Don-Wauchope, 2021, Frontiers in Molecular Biosciences.

Protocols for NMR Analysis in Livestock Metabolomics.

D. Wishart, S. A. Goldansaz, Aidin Foroutan, 2019, Methods in molecular biology.

Dynamic cellular automata: a simple but powerful approach to cellular simulation

David S. Wishart, Peter Tang, Joseph A. Cruz, 2004, Silico Biol..

Porous Nanophotonic Optomechanical Beams for Enhanced Mass Adsorption.

D. Wishart, K. Cui, V. Sauer, 2019, ACS sensors.

The use of metabolomics in population-based research.

Krista A. Zanetti, O. Fiehn, D. Wishart, 2014, Advances in nutrition.

Insights into origins and function of the unexplored majority of the reductive dehalogenase gene family as a result of genome assembly and ortholog group classification.

D. Wishart, C. Nesbø, Luz A. Puentes Jácome, 2020, Environmental science. Processes & impacts.

New insights into the obligatory nature of cyclooxygenase-2 and PGE2 during early chick embryogenesis.

D. Wishart, S. Balakrishnan, K. Khaire, 2021, Biochimica et biophysica acta. Molecular and cell biology of lipids.

Metabolomic profiling of the excretory–secretory products of hookworm and whipworm

D. Wishart, A. Loukas, M. McConville, 2019, Metabolomics.

A Simple and Convenient Synthesis of Unlabeled and 13C-Labeled 3-(3-Hydroxyphenyl)-3-Hydroxypropionic Acid and Its Quantification in Human Urine Samples

D. Wishart, Yeganeh Khaniani, Jiamin Zheng, 2018, Metabolites.

Effect of Diet on the Vitamin B Profile of Bovine Milk-Based Protein Ingredients

D. Wishart, A. Kelly, R. Mandal, 2020, Foods.

International Ring Trial of a High Resolution Targeted Metabolomics and Lipidomics Platform for Serum and Plasma Analysis.

John A. Bowden, O. Fiehn, D. Wishart, 2019, Analytical chemistry.

Liquid chromatography electrospray ionization and matrix-assisted laser desorption ionization tandem mass spectrometry for the analysis of lipid raft proteome of monocytes.

D. Wishart, Xiu-ying Hu, Nan Zhang, 2008, Analytica chimica acta.

Dietary and health biomarkers—time for an update

E. Feskens, D. Wishart, L. Dragsted, 2017, Genes & Nutrition.

Urinary Organic Acids Increase After Clinical Stabilization of Hospitalized Children With Severe Acute Malnutrition

Philliness Prisca Harawa, D. Wishart, R. Mandal, 2019, Food and nutrition bulletin.

Guidelines for Biomarker of Food Intake Reviews (BFIRev): how to conduct an extensive literature search for biomarker of food intake discovery

E. Feskens, D. Wishart, L. Brennan, 2018, Genes & Nutrition.

Gut Microenvironment and Bacterial Invasion in Paediatric Inflammatory Bowel Diseases

D. Wishart, R. Mandal, H. Huynh, 2020, Journal of pediatric gastroenterology and nutrition.

First-trimester metabolomic prediction of stillbirth

D. Wishart, K. Nicolaides, Liang Li, 2019, The journal of maternal-fetal & neonatal medicine : the official journal of the European Association of Perinatal Medicine, the Federation of Asia and Oceania Perinatal Societies, the International Society of Perinatal Obstetricians.

Phenol-Explorer 3.0: a major update of the Phenol-Explorer database to incorporate data on the effects of food processing on polyphenol content

David S. Wishart, Craig Knox, Roman Eisner, 2013, Database J. Biol. Databases Curation.

Transformation of polyphenols found in pigmented gluten-free flours during in vitro large intestinal fermentation.

D. Wishart, M. Trevisan, R. Mandal, 2019, Food chemistry.

Mass-spectrometry-based metabolomics: limitations and recommendations for future progress with particular focus on nutrition research

Oliver Fiehn, Thomas Hankemeier, Estelle Pujos-Guillot, 2009, Metabolomics.

Combining traditional dietary assessment methods with novel metabolomics techniques: present efforts by the Food Biomarker Alliance

David S. Wishart, Jildau Bouwman, Sarah De Saeger, 2017, Proceedings of the Nutrition Society.

Exposome-Explorer 2.0: an update incorporating candidate dietary biomarkers and dietary associations with cancer risk

David S. Wishart, Reza M. Salek, Vanessa Neveu, 2019, Nucleic Acids Res..

BioTransformer 3.0—a web server for accurately predicting metabolic transformation products

D. Wishart, Russ Greiner, T. Metz, 2022, Nucleic Acids Res..

A scheme for a flexible classification of dietary and health biomarkers

David S. Wishart, Hans Verhagen, Marjukka Kolehmainen, 2017, Genes & Nutrition.

Recommendations for standardizing nomenclature for dietary (poly)phenol catabolites

D. Wishart, G. Williamson, A. Scalbert, 2020, The American journal of clinical nutrition.

The Blood Exposome and Its Role in Discovering Causes of Disease

Paolo Vineis, David Wishart, Dinesh K. Barupal, 2014, Environmental health perspectives.

A sensitive, high-throughput LC-MS/MS method for measuring catecholamines in low volume serum.

D. Wishart, R. Mandal, Jiamin Zheng, 2018, Analytica chimica acta.

CFM-ID Applied to CASMI 2014

David S. Wishart, Russell Greiner, Felicity Allen, 2017 .

AllerGen’s 8th research conference

Young Woong Kim, Erin E. Gill, A. Baccarelli, 2016, Allergy, Asthma & Clinical Immunology.

Multi-platform characterization of the human cerebrospinal fluid metabolome: a comprehensive and quantitative update

Rupasri Mandal, Farid Aziat, Edison Dong, 2012, Genome Medicine.

Growth of Malignant Non-CNS Tumors Alters Brain Metabolome

B. Kolb, D. Wishart, O. Kovalchuk, 2018, Front. Genet..

Systems Biology Resources Arising from the Human Metabolome Project

D. Wishart, 2012 .

The Bovine Metabolome

D. Wishart, Anchi Guo, Hamed Piri-Moghadam, 2020, Metabolites.

Clinical phenotype clustering in cardiovascular risk patients for the identification of responsive metabotypes after red wine polyphenol intake.

D. Wishart, F. Tinahones, C. Andrés-Lacueva, 2016, The Journal of nutritional biochemistry.

A metabolomics approach to uncover the effects of grain diets on rumen health in dairy cows.

D. Wishart, F. Saleem, R. Mandal, 2012, Journal of dairy science.

Exploring Human Metabolites Using the Human Metabolome Database

D. Wishart, I. Forsythe, Ian J. Forsythe, 2009, Current protocols in bioinformatics.

CFM-ID 4.0 – a web server for accurate MS-based metabolite identification

D. Wishart, Russ Greiner, T. Metz, 2022, Nucleic Acids Res..

A simple and sensitive biosensor for rapid detection of nanoparticles in water

D. Wishart, G. Goss, Prasanna Bhomkar, 2014, Journal of Nanoparticle Research.

Online Databases and Web Servers for Drug Metabolism Research

David S. Wishart, D. Wishart, 2014 .

Inter-Laboratory Robustness of Next-Generation Bile Acid Study in Mice and Humans: International Ring Trial Involving 12 Laboratories.

D. Wishart, M. Rauh, J. Thompson, 2016, The journal of applied laboratory medicine.

Nanopore Analysis of Wild-Type and Mutant Prion Protein (PrPC): Single Molecule Discrimination and PrPC Kinetics

Nahid N. Jetha, D. Wishart, V. Semenchenko, 2013, PloS one.

CpG-ODN induced antimicrobial immunity in neonatal chicks involves a substantial shift in serum metabolic profiles

D. Wishart, R. Mandal, M. Foldvari, 2021, Scientific Reports.

Urinary metabolomics to develop predictors for pediatric acute kidney injury

D. Wishart, Atul Sharma, T. Blydt-Hansen, 2022, Pediatric Nephrology.

Metabolomics in Humans and Other Mammals

U. Roessner, D. Wishart, J. Nielsen, 2006 .

Early surveillance biopsy utilization and management of pediatric renal allograft acute T cell–mediated rejection in Canadian centers: Observations from the PROBE multicenter cohort study

D. Wishart, P. Nickerson, D. Rush, 2020, Pediatric transplantation.

Dietary Biomarkers of Intake and Exposure: Exploration with Omics Approaches

Holly L. Nicastro, F. Hu, P. Dorrestein, 2019 .

340 Metabolomics-based profiling identifies serum signatures that predict the risk of metritis in transition dairy cows

D. Wishart, R. Mandal, B. Ametaj, 2017 .

Metabolomic Analysis of Cold Acclimation of Arctic Mesorhizobium sp. Strain N33

D. Wishart, J. Xia, R. Mandal, 2013, PloS one.

Anti-Inflammatory Diet Prevents Subclinical Colonic Inflammation and Alters Metabolomic Profile of Ulcerative Colitis Patients in Clinical Remission

D. Wishart, A. Keshteli, R. Mandal, 2022, Nutrients.

Serum Metabolite Biomarkers for Predicting Residual Feed Intake (RFI) of Young Angus Bulls

D. Wishart, R. Mandal, M. Berjanskii, 2020, Metabolites.

Molecular interactions between monoclonal oligomer-specific antibody 5E3 and its amyloid beta cognates

D. Wishart, Y. T. Wang, A. Kovalenko, 2020, PloS one.

NMR solution structures of the apo and peptide-inhibited human rhinovirus 3C protease (Serotype 14): structural and dynamic comparison.

D. Wishart, T. Bjorndahl, V. Semenchenko, 2007, Biochemistry.

Advances in Metabolomics-Driven Diagnostic Breeding and Crop Improvement

D. Wishart, F. Saleem, S. H. Wani, 2022, Metabolites.

OP-NARE130962 326..335

D. Wishart, A. Dunker, P. Wright, 2013 .

The Childhood Acute Illness and Nutrition (CHAIN) network nested case-cohort study protocol: a multi-omics approach to understanding mortality among children in sub-Saharan Africa and South Asia

D. Wishart, N. Aghaeepour, N. Janjić, 2022, Gates open research.

NMR and Metabolomics—A Roadmap for the Future

Leo L. Cheng, D. Wishart, J. Hoch, 2022, Metabolites.

Dietary and metabolomic determinants of relapse in ulcerative colitis patients: A pilot prospective cohort study

D. Wishart, B. Han, A. Keshteli, 2017, World journal of gastroenterology.

Urinary angiotensin-converting enzyme 2 and metabolomics in COVID-19-mediated kidney injury

D. Wishart, J. Scholey, R. Mandal, 2022, Clinical kidney journal.

Epitope mapping of prostate-specific antigen with monoclonal antibodies.

D. Wishart, F. Kreutz, M. Suresh, 1996, Clinical chemistry.

in 2013

D. Wishart, Russ Greiner, Timothy Jewison, 2019 .

Facile measurement of polypeptide JHNHα coupling constants from HMQC-J spectra

D. Wishart, Yunjun Wang, 1998 .

Impact of prenatal maternal nutrition and parental residual feed intake (RFI) on mRNA abundance of metabolic drivers of growth and development in young Angus bulls

D. Wishart, J. Kastelic, J. Thundathil, 2021 .

Development of a predictive algorithm to identify pre-school children at risk for behavior changes associated with sleep-related breathing disorders.

D. Wishart, V. Ezeugwu, T. Moraes, 2022, Sleep medicine.

Targeted metabolomics: new insights into pathobiology of retained placenta in dairy cows and potential risk biomarkers.

D. Wishart, R. Mandal, B. Ametaj, 2017, Animal : an international journal of animal bioscience.

MiMeDB: the Human Microbial Metabolome Database

D. Wishart, R. Kaddurah-Daouk, Anchi Guo, 2022, Nucleic Acids Res..

Transcriptional Response Of E. coli Upon FimH-mediated Fimbrial Adhesion

D. Wishart, V. Semenchenko, W. Materi, 2010, Gene regulation and systems biology.

Urinary Metabolomics for Noninvasive Detection of Borderline and Acute T Cell–Mediated Rejection in Children After Kidney Transplantation

D. Wishart, R. Mandal, I. Gibson, 2014, American journal of transplantation : official journal of the American Society of Transplantation and the American Society of Transplant Surgeons.

Detecting Renal Allograft Inflammation Using Quantitative Urine Metabolomics and CXCL10

D. Wishart, P. Nickerson, D. Rush, 2016, Transplantation direct.

A method for the facile solid-phase synthesis of gramicidin S and its analogs

R. Hodges, D. Wishart, B. Sykes, 1996, Letters in Peptide Science.

Laser-induced fluorescence: quantitative analysis of atherosclerotic plaque chemical content in human aorta

John Tulip, David S. Wishart, Alexandra Lucas, 1996, Photonics West.

Childhood body mass index and associations with infant gut metabolites and secretory IgA: findings from a prospective cohort study

D. Wishart, A. Haqq, R. Mandal, 2022, International Journal of Obesity.

Synthesis and evaluation of keto-glutamine analogues as potent inhibitors of severe acute respiratory syndrome 3CLpro.

J. Vederas, D. Wishart, M. James, 2004, Journal of medicinal chemistry.

Use of a liposome antigen delivery system to alter immune responses in vivo.

D. Wishart, G. Kwon, J. Samuel, 1998, Journal of pharmaceutical sciences.

Using multiple structural proteomics approaches for the characterization of prion proteins.

D. Wishart, C. Borchers, Jason J. Serpa, 2013, Journal of proteomics.

Efficient bispecific monoclonal antibody purification using gradient thiophilic affinity chromatography.

D. Wishart, F. Kreutz, M. Suresh, 1998, Journal of chromatography. B, Biomedical sciences and applications.

High level secretion of single-chain antibody in Pichia expression system

D. Wishart, M. Krantz, N. Mah, 1997 .

1H, 13C and 15N chemical shift referencing in biomolecular NMR

Eric Oldfield, D. Wishart, H. Dyson, 1995, Journal of biomolecular NMR.

Chemical language models enable navigation in sparsely populated chemical space

David S. Wishart, Leonard J. Foster, R. Greg Stacey, 2021, Nature Machine Intelligence.

University of Alberta “OMICs” Conference, June 17, 2013: Conference Program and Abstracts

Fang Wu, David S. Wishart, Sambasivarao Damaraju, 2013 .

The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

Benjamin A. Shoemaker, Emma L. Schymanski, Evan E. Bolton, 2022, Environmental Sciences Europe.

S73 | METXBIODB | Metabolite Reaction Database from BioTransformer

D. Wishart, E. Schymanski, Yannick Djoumbou-Feunang, 2020 .

Dynamic cellular automata : an alternative approach to cellular simulation

Peter Tang, Joseph A. Cruz, David Arndt, 2007 .

Solution structure of carnobacteriocin B2 and implications for structure-activity relationships among type IIa bacteriocins from lactic acid bacteria.

J. Vederas, D. Wishart, A. Gibbs, 1999, Biochemistry.

Accessible surface area from NMR chemical shifts

Noor E. Hafsa, D. Wishart, David Arndt, 2015, Journal of Biomolecular NMR.

Gramicidin S is active against both gram-positive and gram-negative bacteria.

R. Hodges, D. Wishart, R. Hancock, 2009, International journal of peptide and protein research.

Serum metabolomics identifies metabolite panels that differentiate lame dairy cows from healthy ones

D. Wishart, R. Mandal, B. Ametaj, 2020, Metabolomics.

Serum metabolomic markers for traumatic brain injury: a mouse model

D. Wishart, B. Han, R. Bahado-Singh, 2016, Metabolomics.

Standardizing the experimental conditions for using urine in NMR-based metabolomic studies with a particular focus on diagnostic studies: a review

D. Wishart, R. Salek, R. Kaddurah-Daouk, 2014, Metabolomics.

Resolution-by-proxy: a simple measure for assessing and comparing the overall quality of NMR protein structures

D. Wishart, Yongjie Liang, M. Berjanskii, 2012, Journal of Biomolecular NMR.

Microarray Analysis of Rejection in Human Kidney Transplants Using Pathogenesis‐Based Transcript Sets

G S Jhangri, D Wishart, D. Wishart, 2007, American journal of transplantation : official journal of the American Society of Transplantation and the American Society of Transplant Surgeons.

Rapid and reliable protein structure determination via chemical shift threading

Noor E. Hafsa, D. Wishart, David Arndt, 2017, Journal of Biomolecular NMR.

An improved synthesis of α-13C glycine and heteronuclear NMR studies of its incorporation into thioredoxin

F. Richards, D. Wishart, B. Sykes, 1992 .

DrugBank: a knowledgebase for drugs, drug actions and drug targets

David S. Wishart, Dean Cheng, Craig Knox, 2007, Nucleic Acids Res..

DrugBank: a comprehensive resource for in silico drug discovery and exploration

David S. Wishart, Craig Knox, Paul Stothard, 2005, Nucleic Acids Res..

DrugBank 4.0: shedding new light on drug metabolism

David S. Wishart, Craig Knox, You Zhou, 2013, Nucleic Acids Res..

Modulation of Structure and Antibacterial and Hemolytic Activity by Ring Size in Cyclic Gramicidin S Analogs*

R. Hodges, D. Wishart, R. Hancock, 1996, The Journal of Biological Chemistry.

DrugBank 5.0: a major update to the DrugBank database for 2018

David S. Wishart, Craig Knox, Alex Wilson, 2017, Nucleic Acids Res..

HMDB 3.0—The Human Metabolome Database in 2013

David S. Wishart, Craig Knox, Russell Greiner, 2012, Nucleic Acids Res..

MetaboAnalyst 4.0: towards more transparent and integrative metabolomics analysis

David S. Wishart, Shuzhao Li, Iurie Caraus, 2018, Nucleic Acids Res..

MetaboAnalyst: a web server for metabolomic data analysis and interpretation

David S. Wishart, Nelson Young, Jianguo Xia, 2009, Nucleic Acids Res..

MetaboAnalyst 3.0—making metabolomics more meaningful

David S. Wishart, Beomsoo Han, Igor Sinelnikov, 2015, Nucleic Acids Res..

Using MetaboAnalyst 4.0 for Comprehensive and Integrative Metabolomics Data Analysis

David S. Wishart, Jasmine Chong, Jianguo Xia, 2019, Current protocols in bioinformatics.

The Human Serum Metabolome

B. McManus, D. Wishart, Russ Greiner, 2011, PloS one.

Pasture Feeding Changes the Bovine Rumen and Milk Metabolome

D. Wishart, R. P. Ross, C. Stanton, 2018, Metabolites.

The compound (3-{5-[(2,5-dimethoxyphenyl)amino]-1,3,4-thiadiazolidin-2-yl}-5,8-methoxy-2H-chromen-2-one) inhibits the prion protein conversion from PrPC to PrPSc with lower IC50 in ScN2a cells.

D. Wishart, T. Bjorndahl, K. Syed, 2017, Bioorganic & medicinal chemistry.

Improved synthetic methods for the selective deuteration of aromatic amino acids: applications of selective protonation towards the identification of protein folding intermediates through nuclear magnetic resonance.

F. Richards, D. Wishart, B. Sykes, 1993, Biochimica et biophysica acta.

The food metabolome: a window over dietary exposure.

D. Wishart, L. Brennan, S. Rappaport, 2014, The American journal of clinical nutrition.

HMDB: the Human Metabolome Database

Ying Zhang, David S. Wishart, Dean Cheng, 2007, Nucleic Acids Res..

The Human Urine Metabolome

Zerihun T. Dame, D. Wishart, Craig Knox, 2013, PloS one.

The human saliva metabolome

David S. Wishart, Rupasri Mandal, Farid Aziat, 2015, Metabolomics.

Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification

Russ Greiner, David Wishart, Felicity Allen, 2013, Metabolomics.

METAGENassist: a comprehensive web server for comparative metagenomics

David S. Wishart, You Zhou, Yifeng Liu, 2012, Nucleic Acids Res..

Phenol-Explorer: an online comprehensive database on polyphenol contents in foods

David S. Wishart, Craig Knox, Roman Eisner, 2010, Database J. Biol. Databases Curation.

Web-based inference of biological patterns, functions and pathways from metabolomic data using MetaboAnalyst

Jianguo Xia, David S Wishart, D. Wishart, 2011, Nature Protocols.

HMDB 4.0: the human metabolome database for 2018

David S. Wishart, Craig Knox, Yifeng Liu, 2017, Nucleic Acids Res..

The Online Metabolic and Molecular Bases of Inherited Disease; Chapter 3.1: Metabolism and Metabolic Disease Resources on the Web, Page 1

David S. Wishart, D. Wishart, D. Wishart, 2007 .

Herbs and Spices- Biomarkers of Intake Based on Human Intervention Studies – A Systematic Review

Noah A. Wishart, D. Wishart, A. Rosana, 2019, Genes & Nutrition.

PHASTER: a better, faster version of the PHAST phage search tool

David S. Wishart, Allison Pon, Yongjie Liang, 2016, Nucleic Acids Res..

ClassyFire: automated chemical classification with a comprehensive, computable taxonomy

Evan Bolton, David S. Wishart, Christoph Steinbeck, 2016, Journal of Cheminformatics.

Metabolomics enables precision medicine: “A White Paper, Community Perspective”

Matej Oresic, David S. Wishart, Richard D. Beger, 2016, Metabolomics.

Using MetaboAnalyst 3.0 for Comprehensive Metabolomics Data Analysis

Jianguo Xia, David S Wishart, D. Wishart, 2016, Current protocols in bioinformatics.

Metabolomic analysis for first-trimester Down syndrome prediction.

Rupasri Mandal, Jianguo Xia, Edison Dong, 2013, American journal of obstetrics and gynecology.

The Urinary Metabolome of Healthy Newborns

D. Wishart, R. Mandal, J. Monárrez-Espino, 2020, Metabolites.

DrugBank 3.0: a comprehensive resource for ‘Omics’ research on drugs

David S. Wishart, Craig Knox, Yannick Djoumbou, 2010, Nucleic Acids Res..

CFM-ID 3.0: Significantly Improved ESI-MS/MS Prediction and Compound Identification

Carin Li, David S Wishart, Jiamin Zheng, 2019, Metabolites.

MetaboAnalyst 2.0—a comprehensive server for metabolomic data analysis

David S. Wishart, Rupasri Mandal, Igor Sinelnikov, 2012, Nucleic Acids Res..

Heatmapper: web-enabled heat mapping for all

David S. Wishart, Yongjie Liang, Ana Marcu, 2016, Nucleic Acids Res..

Gamma-aminobutyric acid-producing lactobacilli positively affect metabolism and depressive-like behaviour in a mouse model of metabolic syndrome

D. Wishart, T. Dinan, J. Cryan, 2019, Scientific Reports.

Circular genome visualization and exploration using CGView

David S. Wishart, Paul Stothard, D. Wishart, 2005, Bioinform..

CFM-ID 4.0: More Accurate ESI-MS/MS Spectral Prediction and Compound Identification.

D. Wishart, Russ Greiner, David Arndt, 2021, Analytical chemistry.

Proteins: Hormones, Enzymes, and Monoclonal Antibodies—Background

D. Wishart, Z. Gombos, W. Materi, 2010 .

PHAST: A Fast Phage Search Tool

David S. Wishart, You Zhou, Yongjie Liang, 2011, Nucleic Acids Res..

YMDB: the Yeast Metabolome Database

Ram Krishnamurthy, David S. Wishart, Craig Knox, 2011, Nucleic Acids Res..

The Bovine Ruminal Fluid Metabolome

D. Wishart, Anchi Guo, F. Saleem, 2012, Metabolomics.

Metabolomics reveals unhealthy alterations in rumen metabolism with increased proportion of cereal grain in the diet of dairy cows

David S. Wishart, Michael J. Lewis, Jianguo Xia, 2010, Metabolomics.

Myxoma virus and malignant rabbit fibroma virus encode a serpin-like protein important for virus virulence.

D. Wishart, G. McFadden, C. Upton, 1990, Virology.

1H, 13C and 15N random coil NMR chemical shifts of the common amino acids. I. Investigations of nearest-neighbor effects

B D Sykes, R. Hodges, D. Wishart, 1995, Journal of biomolecular NMR.

HMDB: a knowledgebase for the human metabolome

David S. Wishart, Dean Cheng, Craig Knox, 2008, Nucleic Acids Res..

Metabolite profiling and expression analysis of flavonoid, vitamin C and tocopherol biosynthesis genes in the antioxidant-rich sea buckthorn (Hippophae rhamnoides L.).

D. Wishart, G. Paliyath, P. Krishna, 2015, Phytochemistry.

Translational biomarker discovery in clinical metabolomics: an introductory tutorial

D. Wishart, J. Xia, D. Broadhurst, 2012, Metabolomics.

Nutrimetabolomics: An Integrative Action for Metabolomic Analyses in Human Nutritional Studies.

Pieter Giesbertz, Samantha Riccadonna, Estelle Pujos-Guillot, 2018, Molecular nutrition & food research.

Using isotopically-coded hydrogen peroxide as a surface modification reagent for the structural characterization of prion protein aggregates.

D. Wishart, C. Borchers, Jason J. Serpa, 2014, Journal of proteomics.

Systems Biology and Multi-Omics Integration: Viewpoints from the Metabolomics Research Community

David Wishart, David J Beale, Farhana R Pinu, 2019, Metabolites.

CEU Mass Mediator 3.0: A Metabolite Annotation Tool.

Abraham Otero, Sergio Saugar, David S Wishart, 2019, Journal of proteome research.

Chemical Composition of Commercial Cow's Milk.

Lun Zhang, Rupasri Mandal, David S Wishart, 2019, Journal of agricultural and food chemistry.

NMR Spectroscopy for Metabolomics Research

Daniel Raftery, Edoardo Saccenti, Mariusz Jaremko, 2019, Metabolites.

HMDB 5.0: the Human Metabolome Database for 2022

R. Greiner, D. Wishart, Anchi Guo, 2021, Nucleic Acids Res..

Dynamic relationships among type IIa bacteriocins: temperature effects on antimicrobial activity and on structure of the C-terminal amphipathic alpha helix as a receptor-binding region.

J. Vederas, D. Wishart, K. Kaur, 2004, Biochemistry.

Metabolomics for Investigating Physiological and Pathophysiological Processes.

D. Wishart, 2019, Physiological reviews.

Differential metabolite profiles and salinity tolerance between two genetically related brown-seeded and yellow-seeded Brassica carinata lines.

Xiang Li, D. Wishart, I. Sinelnikov, 2013, Plant science : an international journal of experimental plant biology.

GC-MS Metabolomics Identifies Metabolite Alterations That Precede Subclinical Mastitis in the Blood of Transition Dairy Cows.

D. Wishart, R. Mandal, S. M. Dunn, 2017, Journal of proteome research.

Food Constituent and Food Metabolite Databases

D. Wishart, Aidin Foroutan, 2021 .

FOBI: an ontology to represent food intake data and associate it with metabolomic data

David S Wishart, Raúl González-Domínguez, Pol Castellano-Escuder, 2020, Database J. Biol. Databases Curation.

Validation of biomarkers of food intake—critical assessment of candidate biomarkers

H. Verhagen, L. Brennan, E. Feskens, 2018, Genes & Nutrition.

Phenol-Explorer 2.0: a major update of the Phenol-Explorer database integrating data on polyphenol metabolism and pharmacokinetics in humans and experimental animals

David S. Wishart, Craig Knox, Roman Eisner, 2012, Database J. Biol. Databases Curation.

Quantitative metabolomics using NMR

David S. Wishart, D. Wishart, 2008 .

NMR metabolomics: A look ahead.

David S. Wishart, D. Wishart, 2019, Journal of magnetic resonance.

Chemical shifts as a tool for structure determination.

B D Sykes, D. Wishart, B. Sykes, 1994, Methods in enzymology.

Unraveling the unknown areas of the human metabolome: the role of infrared ion spectroscopy

Jos Oomens, David Wishart, Ron A Wevers, 2018, Journal of Inherited Metabolic Disease.

The future of NMR-based metabolomics.

Robert Powers, Daniel Raftery, Rafael Brüschweiler, 2017, Current opinion in biotechnology.

Fecal Short-Chain Fatty Acid Variations by Breastfeeding Status in Infants at 4 Months: Differences in Relative versus Absolute Concentrations

D. Wishart, M. Sears, A. Haqq, 2017, Front. Nutr..

Metabolomics in Exercise and Sports: A Systematic Review

D. Wishart, K. Chamari, Ø. Sandbakk, 2021, Sports Medicine.

Dietary and health biomarkers—time for an update

E. Feskens, D. Wishart, L. Dragsted, 2017, Genes & Nutrition.

Isolation of soluble scFv antibody fragments specific for small biomarker molecule, L-Carnitine, using phage display.

D. Wishart, J. Tuszynski, R. M. Abou El-Magd, 2016, Journal of immunological methods.

The human saliva metabolome

Zerihun T. Dame, D. Wishart, Philip Liu, 2015, Metabolomics.

SMPDB 2.0: Big Improvements to the Small Molecule Pathway Database

David S. Wishart, Craig Knox, You Zhou, 2013, Nucleic Acids Res..

Bioinformatics Applications Note Systems Biology Metpa: a Web-based Metabolomics Tool for Pathway Analysis and Visualization

David S. Wishart, Jianguo Xia, A. Valencia, 2022 .

The Bacterial Nanorecorder: Engineering E. coli to Function as a Chemical Recording Device

D. Wishart, W. Materi, Prasanna Bhomkar, 2011, PloS one.

MSEA: a web-based tool to identify biologically meaningful patterns in quantitative metabolomic data

David S. Wishart, Jianguo Xia, D. Wishart, 2010, Nucleic Acids Res..

Predicting subcellular localization of proteins using machine-learned classifiers

Zhiyong Lu, Duane Szafron, David S. Wishart, 2004, Bioinform..

Is Cancer a Genetic Disease or a Metabolic Disease?

D. Wishart, 2015, EBioMedicine.

David S. Wishart, D. Wishart, 2003 .

Prediction of genetic structure in eukaryotic DNA using reference point logistic regression and sequence alignment

David S. Wishart, Haiyan Zhang, Peter M. Hooper, 2000, Bioinform..

Recombinant mouse prion protein alone or in combination with lipopolysaccharide alters expression of innate immunity genes in the colon of mice

D. Wishart, F. Saleem, B. Ametaj, 2015, Prion.

MyCompoundID: using an evidence-based metabolome library for metabolite identification.

Tao Huan, David S Wishart, Jiamin Zheng, 2013, Analytical chemistry.

Unusual beta-sheet periodicity in small cyclic peptides.

W. Gronwald, R. Hodges, D. Wishart, 1998, Nature structural biology.

Intermolecular transmission of superoxide dismutase 1 misfolding in living cells

David S Wishart, Steven S Plotkin, D. Wishart, 2011, Proceedings of the National Academy of Sciences.

Excretory/Secretory Metabolome of the Zoonotic Roundworm Parasite Toxocara canis

D. Wishart, A. Loukas, P. Wangchuk, 2020, Biomolecules.

PHAST, PHASTER and PHASTEST: Tools for finding prophage in bacterial genomes

Yongjie Liang, Ana Marcu, David Arndt, 2019, Briefings Bioinform..

PolySearch2: a significantly improved text-mining system for discovering associations between human diseases, genes, drugs, metabolites, toxins and more

David S. Wishart, Yifeng Liu, Yongjie Liang, 2015, Nucleic Acids Res..

Metabolomic Data Processing, Analysis, and Interpretation Using MetaboAnalyst

Jianguo Xia, David S Wishart, D. Wishart, 2011, Current protocols in bioinformatics.

T3DB: the toxic exposome database

David S. Wishart, Craig Knox, Yannick Djoumbou, 2014, Nucleic Acids Res..

Mice Treated Subcutaneously with Mouse LPS-Converted PrPres or LPS Alone Showed Brain Gene Expression Profiles Characteristic of Prion Disease

D. Wishart, D. Hailemariam, B. Ametaj, 2021, Veterinary sciences.

Applications of Machine Learning in Cancer Prediction and Prognosis

David S. Wishart, Joseph A. Cruz, D. Wishart, 2006, Cancer informatics.

CypReact: A Software Tool for in Silico Reactant Prediction for Human Cytochrome P450 Enzymes

David S. Wishart, Russell Greiner, Yannick Djoumbou Feunang, 2018, J. Chem. Inf. Model..

Impact of Bovine Diet on Metabolomic Profile of Skim Milk and Whey Protein Ingredients

D. Wishart, A. Kelly, R. Mandal, 2019, Metabolites.

Identification of serum metabolites associated with the risk of metritis in transition dairy cows

D. Wishart, R. Mandal, D. Hailemariam, 2018, Canadian Journal of Animal Science.

Exploring Biological Impacts of Prenatal Nutrition and Selection for Residual Feed Intake on Beef Cattle Using Omics Technologies: A Review

D. Wishart, C. Fitzsimmons, Aidin Foroutan, 2021, Frontiers in Genetics.

Nucleic Acids Research Polysearch: a Web-based Text Mining System for Extracting Relationships between Human Diseases, Genes, Mutations, Drugs Polysearch: a Web-based Text Mining System for Extracting Relationships between Human Diseases, Genes, Mutations, Drugs and Metabolites

David S. Wishart, Dean Cheng, Craig Knox, 2008 .

From birth to overweight and atopic disease: multiple and common pathways of the infant gut microbiome.

D. Wishart, H. Tun, M. Sears, 2020, Gastroenterology.

Translational biomarker discovery in clinical metabolomics: an introductory tutorial

D. Wishart, J. Xia, D. Broadhurst, 2012, Metabolomics.

Development of isotope labeling liquid chromatography mass spectrometry for mouse urine metabolomics: quantitative metabolomic study of transgenic mice related to Alzheimer's disease.

D. Wishart, D. Westaway, J. Xia, 2014, Journal of proteome research.

VADAR: a web server for quantitative evaluation of protein structure quality

David S. Wishart, Haiyan Zhang, Leigh Willard, 2003, Nucleic Acids Res..

Peptide rescue of an N‐terminal truncation of the stoffel fragment of Taq DNA polymerase

D. Wishart, S. Eom, B. Malcolm, 1996, Protein science : a publication of the Protein Society.

Preparation and characterization of a highly soluble Aβ1-42 peptide variant.

D. Wishart, Matthias Lipfert, Carol L Ladner-Keay, 2019, Protein expression and purification.

DrugBank and its relevance to pharmacogenomics.

David S Wishart, D. Wishart, 2008, Pharmacogenomics.

Minimum information about a bioactive entity (MIABE)

Peter Murray-Rust, John P. Overington, Henning Hermjakob, 2011, Nature Reviews Drug Discovery.

David S. Wishart, Xin Gao, Edoardo Saccenti, 2018, Metabolomics.

CSI 3.0: a web server for identifying secondary and super-secondary structure in proteins using NMR chemical shifts

David S. Wishart, David Arndt, Noor E. Hafsa, 2015, Nucleic Acids Res..

Improving early drug discovery through ADME modelling: an overview.

David S Wishart, D. Wishart, 2007, Drugs in R&D.

Automated bacterial genome analysis and annotation.

Paul Stothard, David S Wishart, D. Wishart, 2006, Current opinion in microbiology.

Impaired branched chain amino acid oxidation contributes to cardiac insulin resistance in heart failure

D. Wishart, K. Gopal, G. Lopaschuk, 2019, Cardiovascular Diabetology.

Metformin and Dipeptidase Peptidyl-4 Inhibitor Differentially Modulate the Intestinal Microbiota and Plasma Metabolome of Metabolically Dysfunctional Mice.

D. Wishart, T. Dinan, J. Cryan, 2020, Canadian journal of diabetes.

BacMap: an up-to-date electronic atlas of annotated bacterial genomes

David S. Wishart, Paul Stothard, You Zhou, 2011, Nucleic Acids Res..

Comparison of SDS‐ and methanol‐assisted protein solubilization and digestion methods for Escherichia coli membrane proteome analysis by 2‐D LC‐MS/MS

D. Wishart, Nan Zhang, Rui Chen, 2007, Proteomics.

Introduction to cheminformatics.

David S Wishart, D. Wishart, 2007, Current protocols in bioinformatics.

Nano-Optomechanical Systems for Gas Chromatography.

D. Wishart, V. Sauer, W. Hiebert, 2016, Nano letters.

Exposome-Explorer: a manually-curated database on biomarkers of exposure to dietary and environmental factors

David S. Wishart, Craig Knox, Allison Pon, 2016, Nucleic Acids Res..

Identification of Novel and Known Oocyte-Specific Genes Using Complementary DNA Subtraction and Microarray Analysis in Three Different Species1

D. Wishart, P. Stothard, M. Palin, 2005, Biology of reproduction.

Metabolomics and the Multi-Omics View of Cancer

D. Wishart, 2022, Metabolites.

ECMDB: The E. coli Metabolome Database

Ram Krishnamurthy, David S. Wishart, Craig Knox, 2012, Nucleic Acids Res..

Current Progress in computational metabolomics

David S. Wishart, D. Wishart, 2007, Briefings Bioinform..

A simple method to predict protein flexibility using secondary chemical shifts.

David S Wishart, D. Wishart, M. Berjanskii, 2005, Journal of the American Chemical Society.

Molecular docking of thiamine reveals similarity in binding properties between the prion protein and other thiamine-binding proteins

D. Wishart, T. Bjorndahl, A. Kovalenko, 2013, Journal of Molecular Modeling.

RefDB: A database of uniformly referenced protein chemical shifts

David S Wishart, Stephen Neal, D. Wishart, 2003, Journal of biomolecular NMR.

PROTEUS2: a web server for comprehensive protein structure prediction and structure-based annotation

David S. Wishart, Scott Montgomerie, Savita Shrivastava, 2008, Nucleic Acids Res..

PPT-DB: the protein property prediction and testing database

David S. Wishart, Yi Shi, You Zhou, 2007, Nucleic Acids Res..

SPLASH, a hashed identifier for mass spectra

Tobias Schulze, Emma L. Schymanski, Nuno Bandeira, 2016, Nature Biotechnology.

ECMDB 2.0: A richer resource for understanding the biochemistry of E. coli

David S. Wishart, Craig Knox, Yannick Djoumbou, 2015, Nucleic Acids Res..

The CyberCell Database (CCDB): a comprehensive, self-updating, relational database to coordinate and facilitate in silico modeling of Escherichia coli

David S. Wishart, Paul Stothard, Shan Sundararaj, 2004, Nucleic Acids Res..

Value-based healthcare delivery through metabolomics-based personalized health platform

Aldo A Barrera-Machuca, D. Wishart, M. Anwar, 2020, Healthcare management forum.

Salmonella phages and prophages: genomics, taxonomy, and applied aspects.

D. Wishart, Yongjie Liang, M. Wiedmann, 2015, Methods in molecular biology.

Evidence for copurification of micronuclei in sucrose density gradient-enriched plasma membranes from cell lines.

D. Wishart, J. Mackey, C. Cass, 2010, Analytical biochemistry.

Neural crest-specific loss of Bmp7 leads to midfacial hypoplasia, nasal airway obstruction and disordered breathing, modeling obstructive sleep apnea

D. Wishart, R. Mandal, D. Graf, 2021, Disease Models & Mechanisms.

CS23D: a web server for rapid protein structure generation using NMR chemical shifts and sequence data

David S. Wishart, Guohui Lin, Jianjun Zhou, 2008, Nucleic Acids Res..

Proteome Analyst: custom predictions with explanations in a web-based tool for high-throughput proteome annotations

Zhiyong Lu, Duane Szafron, David S. Wishart, 2004, Nucleic Acids Res..

A simple in vitro assay for assessing the efficacy, mechanisms and kinetics of anti-prion fibril compounds

D. Wishart, T. Bjorndahl, R. Perez-Pineiro, 2018, Prion.

Computational systems biology in drug discovery and development: methods and applications.

David S Wishart, Wayne Materi, D. Wishart, 2007, Drug discovery today.

Lipopolysaccharide induced conversion of recombinant prion protein

D. Wishart, T. Bjorndahl, R. Perez-Pineiro, 2014, Prion.

Comparative molecular docking studies of EGCG with SHaPrPC

D. Wishart, N. S. Pagadala, Rolando Pérez Piñeiro, 2018, MOJ Drug Design Development & Therapy.

Relative and regional stabilities of the hamster, mouse, rabbit, and bovine prion proteins toward urea unfolding assessed by nuclear magnetic resonance and circular dichroism spectroscopies.

D. Wishart, B. Sykes, E. Pai, 2011, Biochemistry.

Resolution-enhanced native acidic gel electrophoresis: a method for resolving, sizing, and quantifying prion protein oligomers.

D. Wishart, C. Ladner, 2012, Analytical biochemistry.

INMEX—a web-based tool for integrative meta-analysis of expression data

David S. Wishart, Robert E. W. Hancock, Jianguo Xia, 2013, Nucleic Acids Res..

A simple method to measure protein side-chain mobility using NMR chemical shifts.

David S. Wishart, Mark V. Berjanskii, D. Wishart, 2013, Journal of the American Chemical Society.

Application of the random coil index to studying protein flexibility

David S. Wishart, Mark V. Berjanskii, D. Wishart, 2008, Journal of biomolecular NMR.

The RCI server: rapid and accurate calculation of protein flexibility using chemical shifts

David S. Wishart, Mark V. Berjanskii, D. Wishart, 2007, Nucleic Acids Res..

NMR: prediction of protein flexibility

David S Wishart, Mark Berjanskii, D. Wishart, 2006, Nature Protocols.

Calculation of local water densities in biological systems: a comparison of molecular dynamics simulations and the 3D-RISM-KH molecular theory of solvation.

Andriy Kovalenko, Vijay S Pande, David Wishart, 2011, The journal of physical chemistry. B.

Development of a Novel Virtual Screening Cascade Protocol to Identify Potential Trypanothione Reductase Inhibitors

David S. Wishart, Rolando Perez-Pineiro, Alan H. Fairlamb, 2009, Journal of medicinal chemistry.

Defects in fatty acid amide hydrolase 2 in a male with neurologic and psychiatric symptoms

D. Wishart, S. Glynn, C. Ross, 2015, Orphanet Journal of Rare Diseases.

Age and sex determine conversion from immediate‐release to extended‐release tacrolimus in a multi‐center cohort of Canadian pediatric renal transplant recipients

D. Wishart, P. Nickerson, I. Gibson, 2020, Pediatric transplantation.

Clostridioides difficile Colonization Is Differentially Associated With Gut Microbiome Profiles by Infant Feeding Modality at 3–4 Months of Age

D. Wishart, H. Tun, M. Sears, 2019, Front. Immunol..

BASys: a web server for automated bacterial genome annotation

Duane Szafron, David S. Wishart, Paul Stothard, 2005, Nucleic Acids Res..

NMR Spectroscopy for Metabolomics Research

D. Wishart, R. Roy, L. Tenori, 2019, Metabolites.

Visual Explanation of Evidence with Additive Classifiers

Duane Szafron, David S. Wishart, Russell Greiner, 2006, AAAI.

Using DrugBank for In Silico Drug Exploration and Discovery

David S Wishart, Anthony Wu, D. Wishart, 2016, Current protocols in bioinformatics.

YMDB 2.0: a significantly expanded version of the yeast metabolome database

David S. Wishart, Allison Pon, Anchi Guo, 2016, Nucleic Acids Res..

Identifying putative drug targets and potential drug leads: starting points for virtual screening and docking.

David S Wishart, D. Wishart, 2015, Methods in molecular biology.

nmrML: A Community Supported Open Data Standard for the Description, Storage, and Exchange of NMR Data.

Christoph Steinbeck, Daniel Schober, Jie Hao, 2018, Analytical chemistry.

MetaboMiner – semi-automated identification of metabolites from 2D NMR spectra of complex biofluids

David S. Wishart, Peter Tang, Jianguo Xia, 2008, BMC Bioinformatics.

Emerging technologies and their impact on regulatory science

D. Wishart, I. Rusyn, W. Tong, 2021, Experimental biology and medicine.

Workshop report: Toward the development of a human whole stool reference material for metabolomic and metagenomic gut microbiome measurements

Rupasri Mandal, David S Wishart, Marie E. Latulippe, 2020, Metabolomics.

Design, synthesis and characterization of a water-soluble -sheet peptide

R. Hodges, D. Wishart, B. Sykes, 1995 .

Application of solid phase peptide synthesis to engineering PEO–peptide block copolymers for drug delivery

D. Wishart, G. Kwon, Gary H. Van Domeselaar, 2003 .

SEQSEE: a comprehensive program suite for protein sequence analysis

David S. Wishart, Leigh Willard, Robert F. Boyko, 1994, Comput. Appl. Biosci..

An improved method to detect correct protein folds using partial clustering

David S. Wishart, Jianjun Zhou, D. Wishart, 2013, BMC Bioinformatics.

ChemFOnt: the chemical functional ontology resource

Elvis J. Lo, D. Wishart, J. Jovel, 2022, Nucleic Acids Res..

Improving Early Drug Discovery through ADME Modelling

David S. Wishart, D. Wishart, 2007 .

A Targeted Serum Metabolomics GC-MS Approach Identifies Predictive Blood Biomarkers for Retained Placenta in Holstein Dairy Cows

D. Wishart, R. Mandal, B. Ametaj, 2021, Metabolites.

Molecular signatures of end-stage heart failure.

B. McManus, D. Wishart, R. Ng, 2011, Journal of cardiac failure.

Advances in metabolite identification.

D. Wishart, 2011, Bioanalysis.

The Bovine Ruminal Fluid Metabolome

D. Wishart, Anchi Guo, F. Saleem, 2013, Metabolomics.

A scheme for a flexible classification of dietary and health biomarkers

E. Feskens, D. Wishart, L. Brennan, 2017, Genes & Nutrition.

A High-Performing Plasma Metabolite Panel for Early-Stage Lung Cancer Detection

D. Wishart, C. Rolfo, R. Mandal, 2020, Cancers.

Developing Trends in Aptamer-Based Biosensor Devices and Their Applications

David S. Wishart, Jie Chen, Scott MacKay, 2014, IEEE Transactions on Biomedical Circuits and Systems.

A Comprehensive Targeted Metabolomics Assay for Crop Plant Sample Analysis

D. Wishart, R. Mandal, Mathew R. Johnson, 2021, Metabolites.

Biomarker of food intake for assessing the consumption of dairy and egg products

D. Wishart, G. Vergères, G. Praticò, 2018, Genes & Nutrition.

Current and Future Perspectives on the Structural Identification of Small Molecules in Biological Systems

David S. Wishart, David J. Beale, Oliver A.H. Jones, 2016, Metabolites.

Non-invasive Point-of-Care Device To Diagnose Acute Mesenteric Ischemia.

Ruth R. Montgomery, Gaser N. Abdelrasoul, D. Wishart, 2018, ACS Sensors.

Microbiome and metabolome modifying effects of several cardiovascular disease interventions in apo-E−/− mice

D. Wishart, T. Bjorndahl, F. Shanahan, 2017, Microbiome.

CSI 2.0: a significantly improved version of the Chemical Shift Index

Noor E. Hafsa, D. Wishart, 2014, Journal of Biomolecular NMR.

pE-DB: a database of structural ensembles of intrinsically disordered and of unfolded proteins

Dmitri I. Svergun, Pierre Lebrun, David S. Wishart, 2013, Nucleic Acids Res..

Metabolism, Metabolomics and Cancer

D. Wishart, 2015 .

Genomic sequence and activity of KS10, a transposable phage of the Burkholderia cepacia complex

Karlene H. Lynch, D. Wishart, S. Shrivastava, 2008, BMC Genomics.

Herbs and Spices- Biomarkers of Intake Based on Human Intervention Studies – A Systematic Review

Noah A. Wishart, D. Wishart, A. Rosana, 2019, Genes & Nutrition.

GeNMR: a web server for rapid NMR-based protein structure determination

David S. Wishart, You Zhou, Guohui Lin, 2009, Nucleic Acids Res..

Improving the accuracy of protein secondary structure prediction using structural alignment

David S. Wishart, Scott Montgomerie, Shan Sundararaj, 2006, BMC Bioinformatics.

Protein chemical shift analysis: a practical guide.

D. Wishart, A. Nip, D S Wishart, 1998, Biochemistry and cell biology = Biochimie et biologie cellulaire.

Cancer Metabolomics and the Human Metabolome Database

Rupasri Mandal, Miguel Ramirez-Gaona, David S Wishart, 2016, Metabolites.

PREDITOR: a web server for predicting protein torsion angle restraints

David S. Wishart, Mark V. Berjanskii, Stephen Neal, 2006, Nucleic Acids Res..

PAMDB: a comprehensive Pseudomonas aeruginosa metabolome database

David S. Wishart, Ana Marcu, Weiliang Huang, 2017, Nucleic Acids Res..

CFM-ID: a web server for annotation, spectrum prediction and metabolite identification from tandem mass spectra

David S. Wishart, Russell Greiner, Felicity Allen, 2014, Nucleic Acids Res..

Validation of metabolomic models for prediction of early-onset preeclampsia.

D. Wishart, K. Nicolaides, B. Han, 2015, American journal of obstetrics and gynecology.

The role of hydration effects in 5-fluorouridine binding to SOD1: insight from a new 3D-RISM-KH based protocol for including structural water in docking simulations

Andriy Kovalenko, David S Wishart, Nikolay Blinov, 2019, Journal of Computer-Aided Molecular Design.

Simulations of Interdigitated Electrode Interactions with Gold Nanoparticles for Impedance-Based Biosensing Applications

David S. Wishart, Jie Chen, Scott MacKay, 2015, Sensors.

Chapter 3: Small Molecules and Disease

David S. Wishart, D. Wishart, 2012, PLoS Comput. Biol..

The Organism

R. Greiner, D. Szafron, D. Wishart, 2013, Neuropsychology Review.

Protein contact order prediction from primary sequences

David S. Wishart, Yi Shi, Guohui Lin, 2008, BMC Bioinformatics.

PlasMapper: a web server for drawing and auto-annotating plasmid maps

David S. Wishart, Paul Stothard, Xiaoli Dong, 2004, Nucleic Acids Res..

Perspective: Dietaryiomarkers of Intake and Exposure-Exploration with Omics Approaches.

P. Dorrestein, O. Fiehn, D. Wishart, 2019, Advances in nutrition.

Metabolic Profile of Ex Vivo Lung Perfusate Yields Biomarkers for Lung Transplant Outcomes

D. Wishart, B. Han, S. Keshavjee, 2018, Annals of surgery.

BacMap: an interactive picture atlas of annotated bacterial genomes

David S. Wishart, Paul Stothard, Brian O'Neill, 2004, Nucleic Acids Res..

Metabolomic determination of pathogenesis of late-onset preeclampsia

D. Wishart, K. Nicolaides, B. Han, 2017, The journal of maternal-fetal & neonatal medicine : the official journal of the European Association of Perinatal Medicine, the Federation of Asia and Oceania Perinatal Societies, the International Society of Perinatal Obstetricians.

NP-MRD: the Natural Products Magnetic Resonance Database

Roger G. Linington, D. Wishart, Anchi Guo, 2021, Nucleic Acids Res..

CyProduct: A Software Tool for Accurately Predicting the Byproducts of Human Cytochrome P450 Metabolism

David S. Wishart, Anchi Guo, Carin Li, 2021, J. Chem. Inf. Model..

Fecal transplant from resveratrol-fed donors improves glycaemia and cardiovascular features of the metabolic syndrome in mice.

D. Wishart, J. Dyck, M. Sung, 2018, American journal of physiology. Endocrinology and metabolism.

A Comprehensive Targeted Metabolomic Assay for Urine Analysis.

D. Wishart, R. Mandal, Mathew R. Johnson, 2020, Analytical chemistry.

Cloning and high-level expression of monomeric human superoxide dismutase 1 (SOD1) and its interaction with pyrimidine analogs

D. Wishart, A. Kovalenko, Dipankar Roy, 2021, PloS one.

Automated Tools for the Analysis of 1D-NMR and 2D-NMR Spectra.

David S Wishart, Matthias Lipfert, Manoj Kumar Rout, 2019, Methods in molecular biology.

A fast, sensitive, single-step colorimetric dipstick assay for quantifying ascorbic acid in urine.

D. Wishart, Jiamin Zheng, Matthias Lipfert, 2019, Analytical biochemistry.

Identification of Primary Natural Killer Cell Modulators by Chemical Library Screening with a Luciferase-Based Functional Assay

D. Wishart, P. Vidalain, Y. Jacob, 2018, SLAS discovery : advancing life sciences R & D.

Urine metabolic fingerprinting can be used to predict the risk of metritis and highlight the pathobiology of the disease in dairy cows

D. Wishart, R. Mandal, D. Hailemariam, 2018, Metabolomics.

Metabotyping reveals distinct metabolic alterations in ketotic cows and identifies early predictive serum biomarkers for the risk of disease

D. Wishart, B. Han, R. Mandal, 2017, Metabolomics.

Metabolomics and first-trimester prediction of early-onset preeclampsia

David S. Wishart, Rupasri Mandal, Jianguo Xia, 2012, The journal of maternal-fetal & neonatal medicine : the official journal of the European Association of Perinatal Medicine, the Federation of Asia and Oceania Perinatal Societies, the International Society of Perinatal Obstetricians.

Computational approaches to metabolomics.

David S Wishart, D. Wishart, 2010, Methods in molecular biology.

A Multi-Platform Metabolomics Approach Identifies Urinary Metabolite Signatures That Differentiate Ketotic From Healthy Dairy Cows

D. Wishart, R. Mandal, B. Ametaj, 2021, Frontiers in Veterinary Science.

Metabolic signatures of Huntington's disease (HD): (1)H NMR analysis of the polar metabolome in post-mortem human brain.

D. Wishart, D. Mann, T. Bjorndahl, 2016, Biochimica et biophysica acta.

Picornain 3C (human rhinovirus)

D. Wishart, 2013 .

PepTool™ and GeneTool™:

David S. Wishart, Paul Stothard, Gary Van Domselaar, 2000 .

Letter to the Editor: Complete 1H and non-carbonylic 13C assignments of native hen egg-white lysozyme

D. Wishart, T. Bjorndahl, Yunjun Wang, 2000 .

Development of Ecom50 and Retention Index Models for Nontargeted Metabolomics: Identification of 1, 3-Dicyclohexylurea in Human Serum by HPLC/Mass Spectrometry

David S. Wishart, Ming-Hui Chen, Lowell H. Hall, 2012, J. Chem. Inf. Model..

Sildenafil Therapy Normalizes the Aberrant Metabolomic Profile in the Comt−/− Mouse Model of Preeclampsia/Fetal Growth Restriction

D. Wishart, C. Sibley, D. Broadhurst, 2015, Scientific Reports.

043 Metabolomics uncovers serum biomarkers that can predict the risk of retained placenta in transition dairy cows.

D. Wishart, B. Ametaj, Guanshi Zhang, 2017 .

Serum metabolomics identifies metabolite panels that differentiate lame dairy cows from healthy ones

D. Wishart, R. Mandal, B. Ametaj, 2020, Metabolomics.

Rapid and accurate calculation of protein 1H, 13C and 15N chemical shifts

D. Wishart, Haiyan Zhang, A. Nip, 2003, Journal of biomolecular NMR.

Letter to the Editor: Complete 1H, 13C and 15N NMR assignments of MTH0776 from Methanobacterium thermoautotrophicum

Paul Stothard, David S Wishart, Zhan Chang, 2004, Journal of biomolecular NMR.

NMR solution structure of the precursor for carnobacteriocin B2, an antimicrobial peptide from Carnobacterium piscicola.

David S Wishart, J. Vederas, D. Wishart, 2004, European journal of biochemistry.

A simple method to quantitatively measure polypeptide JHNHα coupling constants from TOCSY or NOESY spectra

D. Wishart, A. Nip, Yunjun Wang, 1997, Journal of biomolecular NMR.

PROSESS: a protein structure evaluation suite and server

David S. Wishart, Paul Stothard, You Zhou, 2010, Nucleic Acids Res..

The Transcriptome of the Implant Biopsy Identifies Donor Kidneys at Increased Risk of Delayed Graft Function

Joseph A. Cruz, G S Jhangri, D Wishart, 2007, American journal of transplantation : official journal of the American Society of Transplantation and the American Society of Transplant Surgeons.

Transcriptional Response Of E. coli Upon FimH-mediated Fimbrial Adhesion

D. Wishart, V. Semenchenko, W. Materi, 2010, Gene regulation and systems biology.

Immunometabolic signatures predict risk of progression to sepsis in COVID-19

D. Wishart, R. Mandal, J. Monárrez-Espino, 2021, PloS one.

Identification of bacteria using tandem mass spectrometry combined with a proteome database and statistical scoring.

David Wishart, Rui Chen, Liang Li, 2004, Analytical chemistry.

Urinary Metabolomics around Parturition Identifies Metabolite Alterations in Dairy Cows Affected Postpartum by Lameness: Preliminary Study

D. Wishart, R. Mandal, B. Ametaj, 2020, Dairy.

Structural domains and main-chain flexibility in prion proteins.

D. Wishart, M. Stepanova, M. Berjanskii, 2009, Biochemistry.

MarkerDB: an online database of molecular biomarkers

David S. Wishart, Anchi Guo, Mark V. Berjanskii, 2020, Nucleic Acids Res..

Unusual β-sheet periodicity in small cyclic peptides

David S. Wishart, Wolfram Gronwald, Brian D. Sykes, 1998, Nature Structural Biology.

Urinary Metabolomics for Noninvasive Detection of Antibody-Mediated Rejection in Children After Kidney Transplantation

D. Wishart, P. Nickerson, D. Rush, 2017, Transplantation.

Non‐invasive staging of chronic kidney allograft damage using urine metabolomic profiling

D. Wishart, D. Rush, I. Gibson, 2018, Pediatric transplantation.

Automated identification and quantification of metabolites in human fecal extracts by nuclear magnetic resonance spectroscopy.

D. Wishart, M. Rout, R. Mandal, 2023, Magnetic resonance in chemistry : MRC.

A Canadian Study of Cisplatin Metabolomics and Nephrotoxicity (ACCENT): A Clinical Research Protocol

P. Nathan, D. Wishart, M. Brudno, 2021, Canadian journal of kidney health and disease.

Role of polysaccharide and lipid in lipopolysaccharide induced prion protein conversion

D. Wishart, Carol L Ladner-Keay, M. Levatte, 2016, Prion.

PSA fluoroimmunoassays using anti-PSA ScFv and quantum-dot conjugates.

David S Wishart, Dan Tzur, D. Wishart, 2008, Nanomedicine.

Production of an anti-prostate-specific antigen single-chain antibody fragment from Pichia pastoris.

D. Wishart, K. Wang, D. Jette, 2001, Protein expression and purification.

First-trimester metabolomic detection of late-onset preeclampsia.

D. Wishart, K. Nicolaides, J. Xia, 2013, American journal of obstetrics and gynecology.

Analogues of bacteriocins: antimicrobial specificity and interactions of leucocin A with its enantiomer, carnobacteriocin B2, and truncated derivatives.

J. Vederas, D. Wishart, A. Gibbs, 2000, Journal of medicinal chemistry.

Brassica villosa, a system for studying non-glandular trichomes and genes in the Brassicas

D. Wishart, Xiang Li, T. Bjorndahl, 2014, Plant Molecular Biology.

Development and Validation of a High-Throughput Mass Spectrometry Based Urine Metabolomic Test for the Detection of Colonic Adenomatous Polyps

D. Wishart, Roman Eisner, R. Fedorak, 2017, Metabolites.

Targeted metabolomics highlights perturbed metabolism in the brain of autism spectrum disorder sufferers

D. Wishart, B. Han, A. Yilmaz, 2020, Metabolomics.

Construction and expression of bi-functional proteins of single-chain Fv with effector domains.

D. Wishart, Y. Zhang, N. Mah, 1996, Journal of Biochemistry (Tokyo).

Initial Structural Models of the Aβ42 Dimer from Replica Exchange Molecular Dynamics Simulations

D. Wishart, A. Kovalenko, N. Cashman, 2017, ACS omega.

Resolution-by-proxy: a simple measure for assessing and comparing the overall quality of NMR protein structures

Yongjie Liang, David S Wishart, Mark Berjanskii, 2012, Journal of Biomolecular NMR.

Predicting PAMPA permeability using the 3D-RISM-KH theory: are we there yet?

David S. Wishart, Andriy Kovalenko, Dipankar Roy, 2021, Journal of Computer-Aided Molecular Design.

The role of the Human Metabolome Database in inborn errors of metabolism

D. Wishart, R. Mandal, D. Chamot, 2018, Journal of inherited metabolic disease.

Simulating electrical properties of interdigitated electrode designs for impedance-based biosensing applications

David S. Wishart, Jie Chen, Wayne Hiebert, 2015, 2015 IEEE 28th Canadian Conference on Electrical and Computer Engineering (CCECE).

GelScape: a web-based server for interactively annotating, manipulating, comparing and archiving 1D and 2D gel images

David S. Wishart, Nelson Young, Zhan Chang, 2004, Bioinform..

Probing the structural determinants of type II' beta-turn formation in peptides and proteins.

David S Wishart, R. Hodges, D. Wishart, 2002, Journal of the American Chemical Society.

A probabilistic approach for validating protein NMR chemical shift assignments

David S Wishart, D. Wishart, Yunjun Wang, 2010, Journal of biomolecular NMR.

3D-RISM-Dock: A New Fragment-Based Drug Design Protocol.

Andriy Kovalenko, David Wishart, Dragan D. Nikolic, 2012, Journal of chemical theory and computation.

Association thermodynamics and conformational stability of beta-sheet amyloid beta(17-42) oligomers: effects of E22Q (Dutch) mutation and charge neutralization.

Andriy Kovalenko, David Wishart, Nikolay Blinov, 2010, Biophysical journal.

Hydration effects on the HET-s prion and amyloid-beta fibrillous aggregates, studied with three-dimensional molecular theory of solvation.

Andriy Kovalenko, David Wishart, Nikolay Blinov, 2008, Biophysical journal.

Synthesis and 99mTc‐labelling of bz‐MAG3‐triprolinyl‐peptides, their radiochemical evaluation and in vitro receptor‐binding

D. Wishart, G. Domselaar, S. Okarvi, 2000 .

MovieMaker: a web server for rapid rendering of protein motions and interactions

David S. Wishart, Gary H. Van Domselaar, Rajarshi Maiti, 2005, Nucleic Acids Res..

Protein chemical shift analysis: a practical guide

David S. Wishart, D. Wishart, A. Nip, 1998 .

NMR Exchange Format: a unified and open standard for representation of NMR restraint data

Michael Nilges, Sameer Velankar, Torsten Herrmann, 2015, Nature Structural &Molecular Biology.

Identification of a novel archaebacterial thioredoxin: determination of function through structure.

D. Wishart, C. Arrowsmith, A. Yee, 2002, Biochemistry.

Modeling Tools for Cancer Systems Biology

David S. Wishart, Wayne Materi, D. Wishart, 2010 .

Solvent Composition Effects on the Structural Properties of the Aβ42 Monomer from the 3D-RISM-KH Molecular Theory of Solvation.

D. Wishart, A. Kovalenko, Nikolay Blinov, 2019, The journal of physical chemistry. B.

On the Use of NMR in Complex Biological Systems: NMR Studies of Calcium Sensitive Interactions amongst Muscle Proteins

D. Wishart, B. Sykes, C. Slupsky, 1996 .

Accurate prediction of protein torsion angles using chemical shifts and sequence homology

Mark Berjanskii, Stephen Neal, D. Wishart, 2006, Magnetic resonance in chemistry : MRC.

CAMRA: Chemical shift based computer aided protein NMR assignments

Robert F. Boyko, B D Sykes, W. Gronwald, 1998, Journal of biomolecular NMR.

Use of Proteinase K Nonspecific Digestion for Selective and Comprehensive Identification of Interpeptide Cross-links: Application to Prion Proteins*

Christoph H Borchers, David S Wishart, Darryl B. Hardie, 2012, Molecular & Cellular Proteomics.

A robust algorithm for optimizing protein structures with NMR chemical shifts

D. Wishart, Yongjie Liang, David Arndt, 2015, Journal of Biomolecular NMR.

A robust algorithm for optimizing protein structures with NMR chemical shifts

D. Wishart, Yongjie Liang, David Arndt, 2015, Journal of Biomolecular NMR.

Experimental and Computational Study of the Interaction of Novel Colchicinoids with a Recombinant Human αI/βI‐Tubulin Heterodimer

Jonathan Y. Mane, D. Wishart, J. Tuszynski, 2013, Chemical biology & drug design.

Automated 1H and 13C chemical shift prediction using the BioMagResBank

Robert F. Boyko, B D Sykes, D. Wishart, 1997, Journal of biomolecular NMR.

Residue-specific mobility changes in soluble oligomers of the prion protein define regions involved in aggregation.

D. Wishart, B. Sykes, T. Bjorndahl, 2018, Biochimica et biophysica acta. Proteins and proteomics.

Identification of candidate biomarkers of brain damage in a mouse model of closed head injury: a metabolomic pilot study

D. Wishart, T. Bjorndahl, B. Han, 2016, Metabolomics.

Proteomics and the Human Metabolome Project

D. Wishart, 2007, Expert review of proteomics.

A Web Tool for Generating High Quality Machine-readable Biological Pathways

David S. Wishart, Allison Pon, Miguel Ramirez-Gaona, 2017, Journal of visualized experiments : JoVE.

Pathways with PathWhiz

David S. Wishart, Craig Knox, Allison Pon, 2015, Nucleic Acids Res..

Pathway Analyst Automated Metabolic Pathway Prediction

Duane Szafron, David S. Wishart, Paul Lu, 2005, 2005 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology.

Nutrimetabolomics: An Integrative Action for Metabolomic Analyses in Human Nutritional Studies

E. Feskens, D. Wishart, S. Riccadonna, 2018 .

Shaking Alone Induces De Novo Conversion of Recombinant Prion Proteins to β-Sheet Rich Oligomers and Fibrils

D. Wishart, Bethany J. Griffith, Carol L Ladner-Keay, 2014, PLoS ONE.

Applications of Metabolomics to Precision Nutrition

D. Wishart, A. Keshteli, Parvin Zarei, 2021, Lifestyle Genomics.

Using metabolomics to predict severe traumatic brain injury outcome (GOSE) at 3 and 12 months

D. Wishart, L. Hazrati, K. Barlow, 2023, Critical Care.

Erratum to Residue-specific mobility changes in soluble oligomers of the prion protein define regions involved in aggregation, BBAPAP (2018) 982-988.

D. Wishart, B. Sykes, T. Bjorndahl, 2018, Biochimica et biophysica acta. Proteins and proteomics.

Nutrimetabolomics: An Integrative Action for Metabolomic Analyses in Human Nutritional Studies

E. Feskens, D. Wishart, S. Riccadonna, 2018, Molecular Nutrition & Food Research.

Competitive Fragmentation Modeling of ESI-MS/MS spectra for metabolite identification pdf

David S. Wishart, Russell Greiner, Felicity Allen, 2013, ArXiv.

Constrained multiple sequence alignment using XALIGN

David S. Wishart, Robert F. Boyko, Brian D. Sykes, 1994, Comput. Appl. Biosci..

MetPA: a web-based metabolomics tool for pathway analysis and visualization

D. Wishart, J. Xia, 2010, Bioinform..

Characterization of a highly potent antimicrobial peptide microcin N from uropathogenic Escherichia coli.

D. Wishart, L. McMullen, K. Kaur, 2016, FEMS microbiology letters.

Accurate, Fully-Automated NMR Spectral Profiling for Metabolomics

R. Greiner, D. Wishart, Siamak Ravanbakhsh, 2014, PloS one.

Magnetic Resonance Diagnostics: A New Technology for High-Throughput Clinical Diagnostics

D. Wishart, Russ Greiner, J. Newton, 2001 .

Biomarker of food intake for assessing the consumption of dairy and egg products

D. Wishart, G. Vergères, G. Praticò, 2018, Genes & Nutrition.

PA-GOSUB: a searchable database of model organism protein sequences with their predicted Gene Ontology molecular function and subcellular localization

Duane Szafron, David S. Wishart, Russell Greiner, 2004, Nucleic Acids Res..

Candidate serum metabolite biomarkers of residual feed intake and carcass merit in sheep.

D. Wishart, Anchi Guo, M. Rout, 2020, Journal of animal science.

Bioinformatics Applications Note Systems Biology Metatt: a Web-based Metabolomics Tool for Analyzing Time-series and Two-factor Datasets

David S. Wishart, Igor Sinelnikov, Jianguo Xia, 2022 .

Metallotyping of ketotic dairy cows reveals major alterations preceding, associating, and following the disease occurrence

D. Wishart, R. Mandal, B. Ametaj, 2017, Metabolomics.

In Silico Drug Exploration and Discovery Using DrugBank

David S Wishart, D. Wishart, 2007, Current protocols in bioinformatics.

PHASTEST: faster than PHASTER, better than PHAST

D. Wishart, P. Stothard, J. Grant, 2023, Nucleic Acids Res..

University of Birmingham International ring trial of a high resolution targeted metabolomics and lipidomics platform for serum and plasma analysis

D. Wishart, F. Meier, M. Viant, 2019 .

3D-RISM-KH approach for biomolecular modelling at nanoscale: thermodynamics of fibril formation and beyond

Andriy Kovalenko, David Wishart, Nikolay Blinov, 2010 .

Synthesis and characterization of metabolite-nanoparticle conjugates for use in metabolite biosensor systems

D. Wishart, Prashanthi Kovur, Sajjad Janfaza, 2023, Sensing and Bio-Sensing Research.

Comparative analysis of essential collective dynamics and NMR-derived flexibility profiles in evolutionarily diverse prion proteins

D. Wishart, M. Stepanova, M. Berjanskii, 2011, Prion.

Targeted metabolomics highlights perturbed metabolism in the brain of autism spectrum disorder sufferers

D. Wishart, B. Han, A. Yilmaz, 2020, Metabolomics.

NMR Spectroscopy for Metabolomics Research

D. Wishart, R. Roy, L. Tenori, 2019, Metabolites.

Role of Water in Ligand Binding to Maltose-Binding Protein: Insight from a New Docking Protocol Based on the 3D-RISM-KH Molecular Theory of Solvation

D. Wishart, A. Kovalenko, Wenjuan Huang, 2015, J. Chem. Inf. Model..

DrugBank: a comprehensive resource for in silico drug discovery and exploration

D. Wishart, Craig Knox, Anchi Guo, 2005, Nucleic Acids Res..

Comparison of SDS‐ and methanol‐assisted protein solubilization and digestion methods for Escherichia coli membrane proteome analysis by 2‐D LC‐MS/MS

D. Wishart, Nan Zhang, Rui Chen, 2007, Proteomics.

Applications of Machine Learning in Cancer Prediction and Prognosis

Joseph A. Cruz, D. Wishart, 2006, Cancer informatics.

Metabolomic analysis for first-trimester trisomy 18 detection.

D. Wishart, K. Nicolaides, R. Bahado-Singh, 2013, American journal of obstetrics and gynecology.

Metabolomic analysis for first-trimester Down syndrome prediction.

D. Wishart, K. Nicolaides, J. Xia, 2013, American journal of obstetrics and gynecology.

Metabolomic identification of diagnostic serum-based biomarkers for advanced stage melanoma

D. Wishart, T. Bjorndahl, B. Han, 2018, Metabolomics.

Escherichia coli K-12: a cooperatively developed annotation snapshot—2005

Martha B. Arnaud, J. Glasner, F. Blattner, 2006, Nucleic acids research.

Metabolomic prediction of endometrial cancer

D. Wishart, T. Bjorndahl, B. Han, 2017, Metabolomics.

Metformin and a DPP-4 Inhibitor Differentially Modulate the Microbiome and Metabolome of Metabolic Syndrome Mice

D. Wishart, T. Dinan, J. Cryan, 2018, Canadian Journal of Diabetes.

PolySearch: a web-based text mining system for extracting relationships between human diseases, genes, mutations, drugs and metabolites

D. Wishart, Craig Knox, D. Cheng, 2008, Nucleic Acids Res..

Solution Structure of MTH0776 from Methanobacterium Thermoautotrophicum

Paul Stothard, David S Wishart, Ekaterina Kuznetsova, 2005, Journal of biomolecular NMR.

Simulations and design of microfabricated interdigitated electrodes for use in a gold nanoparticle enhanced biosensor

David S. Wishart, Jie Chen, Scott MacKay, 2016, 2016 38th Annual International Conference of the IEEE Engineering in Medicine and Biology Society (EMBC).

Database update Phenol-Explorer 2.0: a major update of the Phenol-Explorer database integrating data on polyphenol metabolism and pharmacokinetics in humans and experimental animals

Joseph A. Cruz, D. Wishart, Craig Knox, 2012 .

Essential Role of Hydration in Aggregation of Misfolded Prion Proteins: Quantification by Molecular Theory of Solvation

D. Wishart, A. Kovalenko, T. Yamazaki, 2009, Journal of toxicology and environmental health. Part A.

Simple techniques for the quantification of protein secondary structure by 1H NMR spectroscopy

F. Richards, D. Wishart, B. Sykes, 1991, FEBS letters.

CS23D: a web server for rapid protein structure generation using NMR chemical shifts and sequence data

D. Wishart, David Arndt, M. Berjanskii, 2008, Nucleic Acids Res..

Letter to the Editor: Complete 1H, 13C and 15N backbone assignments for the hepatitis A virus 3C protease

D. Wishart, B. Sykes, L. Spyracopoulos, 2001, Journal of biomolecular NMR.

MagMet: A fully automated web server for targeted nuclear magnetic resonance metabolomics of plasma and serum.

Ying W. Dong, D. Wishart, M. Rout, 2023, Magnetic resonance in chemistry : MRC.